SMB01083

4,5-Di-O-caffeoylquinic acid methyl ester

≥90% (LC/MS-ELSD)

• Synonym(s): Methyl (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
• Empirical Formula (Hill Notation): C₂₆H₂₆O₁₂
• CAS Number: 188742-80-5
• Molecular Weight: 530.48
• UNSPSC Code: 12352205
• NACRES: NA.25

Properties

• biological source: plant
• Assay: ≥90% (LC/MS-ELSD)
• form: solid
• mol wt: 530.48
• application(s): metabolomics; vitamins, nutraceuticals, and natural products
• storage temp.: −20°C
• SMILES string: O([C@@H]2[C@@H](C[C@@](C[C@H]2O)(O)C(=O)OC)OC(=O)\C=C\c3cc(c(cc3)O)O)C(=O)\C=C\c1cc(c(cc1)O)O
• InChI: 1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24+,26-/m1/s1
• InChI key: PKJBSZTYNDRXEQ-GMGOHGFSSA-N

Description

General description

4,5-Di-O-caffeoylquinic acid methyl ester, a phenylpropanoid, belongs to group of compounds known as cyclic alcohols and derivatives. It is a natural product commonly available from Erigeron breviscapus, Spuriopimpinella brachycarpa, Ipomoea batatas L., and Spuriopimpinella calycina plants. Studies have demonstrated that this metabolite, derived from plant sources, possesses various biological activities, including antioxidant and antiviral properties.

Application

It is a natural product derived from plant source that finds application in compound screening libraries, metabolomics, phytochemical, and pharmaceutical research.

Biochem/physiol Actions

4,5-Di-O-caffeoylquinic acid methyl ester demonstrates strong antioxidant activity with significant free radical-scavenging abilities against DPPH. Additionally, it displays in vitro antiviral activity against the respiratory syncytial virus.

Features and Benefits

• High quality compound suitable for multiple research applications
• Compatible with HPLC and mass spectrometry techniques

Other Notes

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Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable